(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C15H21F2N3O — CID 63168602

IUPAC(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(F)c(F)cc2N)C1
InChIInChI=1S/C15H21F2N3O/c1-3-19(4-2)10-5-6-20(9-10)15(21)11-7-12(16)13(17)8-14(11)18/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyMZPUBOIEPAYHCP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.10
Rot. Bonds4

About (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63168602) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63168602
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(F)c(F)cc2N)C1
InChIInChI=1S/C15H21F2N3O/c1-3-19(4-2)10-5-6-20(9-10)15(21)11-7-12(16)13(17)8-14(11)18/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyMZPUBOIEPAYHCP-UHFFFAOYSA-N
XLogP2.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(2-amino-4,5-difluorophenyl)-(4-propylpiperidin-1-yl)methanone
CID 62199600
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(2-amino-5-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 61115199
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(2-amino-4,5-difluorophenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091602
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 86785879
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-4-yl)methanone
CID 99946662
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63168602) is (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(F)c(F)cc2N)C1.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is MZPUBOIEPAYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-3-19(4-2)10-5-6-20(9-10)15(21)11-7-12(16)13(17)8-14(11)18/h7-8,10H,3-6,9,18H2,1-2H3.
What are the key properties of (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 297.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63168602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).